tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate

C17H32N2O2 — CID 15380712

IUPACtert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-11-9-15(10-12-19)18-13-14-7-5-4-6-8-14/h14-15,18H,4-13H2,1-3H3
InChIKeySXBNIBVFEDZLLR-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.56
Rot. Bonds3

About tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate

tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate (PubChem CID 15380712) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate
PubChem CID15380712
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-11-9-15(10-12-19)18-13-14-7-5-4-6-8-14/h14-15,18H,4-13H2,1-3H3
InChIKeySXBNIBVFEDZLLR-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate (CID 15380712) is tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCC2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate?
The InChIKey is SXBNIBVFEDZLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-11-9-15(10-12-19)18-13-14-7-5-4-6-8-14/h14-15,18H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate?
tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclohexylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 15380712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).